SCHEMBL7377643

SCHEMBL7377643

NN=CNc1cccc(C(=O)NCC(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
LMNA P02545 1/20 0.42
PPARG P37231 2/20 0.41
GPR132 Q9UNW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
EPHX2 P34913 1/20 0.40
FOLH1 Q04609 3/20 0.40
CPA1 P15085 2/20 0.40
CPA3 P15088 2/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6775970 0.83 GPR132 (0.49) GPR132ITGB3ITGA2B
SCHEMBL7864776 0.83 PPARG (0.53) LMNAPPARGEPHX2
SCHEMBL7372216 0.82 F10 (0.43) F10PRSS1PPARGCYP1A2EPHX2
SCHEMBL8500048 0.82 LMNA (0.50) F10PRSS1LMNAPPARGCYP1A2
SCHEMBL7376324 0.81 GPR132 (0.49) GPR132ITGB3ITGA2B
SCHEMBL7376317 0.81 GPR132 (0.49) GPR132ITGB3ITGA2B
SCHEMBL7457847 0.80 MEN1 (0.51) LMNAPPARGITGB3ITGA2B
SCHEMBL7823171 0.79 ITGB3 (0.50) GPR132CPA1ITGB3ITGA2B
SCHEMBL7864788 0.79 SIRT2 (0.44) LMNAPPARGSIRT2EPHX2
SCHEMBL7864267 0.78 TP53 (0.45) LMNAPPARGSIRT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed